3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide

C22H27N3O4 — CID 56858912

IUPAC3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C22H27N3O4/c1-3-11-23-21(27)18-13-25(12-17-10-9-15(2)29-17)14-19(20(18)26)22(28)24-16-7-5-4-6-8-16/h3,9-10,13-14,16H,1,4-8,11-12H2,2H3,(H,23,27)(H,24,28)
InChIKeyOTPKJPQUDDRWRX-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.78
Rot. Bonds7

About 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide

3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 56858912) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID56858912
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C22H27N3O4/c1-3-11-23-21(27)18-13-25(12-17-10-9-15(2)29-17)14-19(20(18)26)22(28)24-16-7-5-4-6-8-16/h3,9-10,13-14,16H,1,4-8,11-12H2,2H3,(H,23,27)(H,24,28)
InChIKeyOTPKJPQUDDRWRX-UHFFFAOYSA-N
XLogP2.78
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 26358351
3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 42500950
5-N-[2-(2-methoxyphenyl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26348562
1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26397434
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 42372843
1-benzyl-3-N-(2,3-dihydro-1H-inden-2-yl)-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 42471213
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
3-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-cyclopentyl-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26341693
3-N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-3-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26278405
N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 4677844
ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate
CID 42278246
3-N-cyclooctyl-5-N-(cyclopropylmethyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45215556

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 56858912) is 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)NC2CCCCC2)c1=O.
What is the InChIKey of 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is OTPKJPQUDDRWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-11-23-21(27)18-13-25(12-17-10-9-15(2)29-17)14-19(20(18)26)22(28)24-16-7-5-4-6-8-16/h3,9-10,13-14,16H,1,4-8,11-12H2,2H3,(H,23,27)(H,24,28).
What are the key properties of 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 56858912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).